3-[(2-Nitrophenyl)methyl]-4-thiazolidinecarboxylic acid

Base Information

• Chemical Name: 3-[(2-Nitrophenyl)methyl]-4-thiazolidinecarboxylic acid
• CAS No.: 110822-06-5
• Molecular Formula: C₁₁H₁₂N₂O₄S
• Molecular Weight: 268.293
• DSSTox Substance ID: DTXSID701205901
• Mol file: 110822-06-5.mol

Synonyms:3-[(2-Nitrophenyl)methyl]-4-thiazolidinecarboxylic acid;DTXSID701205901;110822-06-5

Chemical Property of 3-[(2-Nitrophenyl)methyl]-4-thiazolidinecarboxylic acid

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 268.05177804
• Heavy Atom Count: 18
• Complexity: 334

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(N(CS1)CC2=CC=CC=C2[N+](=O)[O-])C(=O)O

Technology Process of 3-[(2-Nitrophenyl)methyl]-4-thiazolidinecarboxylic acid

There total 1 articles about 3-[(2-Nitrophenyl)methyl]-4-thiazolidinecarboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-nitrophenylmethyl bromide (3958-60-9) + (RS)-4-thiazolidinecarboxylic acid (444-27-9,19291-02-2,34592-47-7,45521-09-3,2756-91-4,6070-92-4,60731-25-1) → N-(2-nitrobenzyl)thiazolidine-4-carboxylic acid (110822-06-5)

Guidance literature:

With potassium carbonate; Yield given. Multistep reaction; 1.) 50percent aq. EtOH, reflux, 10 min; 2.) reflux, 4 h.;

DOI:10.1002/jhet.5570240122

Reference yield:

N-(2-nitrobenzyl)thiazolidine-4-carboxylic acid (110822-06-5) + ethylamine (75-04-7,85404-22-4) → N-(2-nitrobenzyl)-4-ethylaminothiazolidine (110822-09-8)

Guidance literature:

With trichlorophosphate; Yield given. Multistep reaction; 1.) 110 grad C, 10 min; 2.) CH₂Cl₂, room temp., 1.5 h.;

DOI:10.1002/jhet.5570240122

upstream raw materials:

2-nitrophenylmethyl bromide

(RS)-4-thiazolidinecarboxylic acid

Downstream raw materials:

N-(2-nitrobenzyl)-4-ethylaminothiazolidine